Geometry & MOs

Info

ID:	71630
PubChem CID:	48415135
Reduced:	ON2C19H28 (1)
Stoich.:	AB2C19D28 (1)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	-19.21
Dipole, Da:	3.5
IP(EA), eV:	-8.74(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-3-methylbutan-1-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations